Theory and calculation of the phosphorescence phenomenon

G Baryshnikov, B Minaev, H Ågren - Chemical reviews, 2017 - ACS Publications
Phosphorescence is a phenomenon of delayed luminescence that corresponds to the
radiative decay of the molecular triplet state. As a general property of molecules …

Cu (I) complexes–Thermally activated delayed fluorescence. Photophysical approach and material design

R Czerwieniec, MJ Leitl, HHH Homeier… - Coordination Chemistry …, 2016 - Elsevier
Cu (I) complexes often show transitions of distinct metal-to-ligand charge transfer (MLCT)
character. This can lead to small energy separations between the lowest singlet S 1 and …

The quest to simulate excited-state dynamics of transition metal complexes

JP Zobel, L González - JACS Au, 2021 - ACS Publications
This Perspective describes current computational efforts in the field of simulating
photodynamics of transition metal complexes. We present the typical workflows and feature …

Archetypal iridium (III) compounds for optoelectronic and photonic applications: photophysical properties and synthetic methods

JC Deaton, FN Castellano - Iridium (III) in optoelectronic and …, 2017 - Wiley Online Library
This chapter presents the photophysical properties and synthesis of the archetypal
complexes suitable for the applications of iridium (Ir) complexes. Ir (III) complexes bearing …

Symmetry-based design strategy for unprecedentedly fast decaying thermally activated delayed fluorescence (TADF). Application to dinuclear Cu (I) compounds

A Schinabeck, J Chen, L Kang, T Teng… - Chemistry of …, 2019 - ACS Publications
Inspired by molecular crystal theory of coupling symmetry-related transition dipole moments,
we develop a model for rational design of Cu (I) complexes to achieve short TADF (thermally …

Ligand-to-Metal Charge-Transfer Photophysics and Photochemistry of Emissive d0 Titanocenes: A Spectroscopic and Computational Investigation

HC London, TJ Whittemore, AG Gale… - Inorganic …, 2021 - ACS Publications
Complexes with ligand-to-metal charge-transfer (LMCT) excited states involving d0 metals
represent a new design for photocatalysts. Herein, the photochemistry and photophysics of …

Benchmark of bethe-salpeter for triplet excited-states

D Jacquemin, I Duchemin, A Blondel… - Journal of Chemical …, 2017 - ACS Publications
We have evaluated the accuracy of the Bethe-Salpeter singlet–triplet transition energies as
well as singlet–triplet and triplet–triplet splittings for 20 organic molecules, using as …

Photochemistry and Photophysics of Charge-Transfer Excited States in Emissive d10/d0 Heterobimetallic Titanocene Tweezer Complexes

HC London, DY Pritchett, JA Pienkos… - Inorganic …, 2022 - ACS Publications
Transition-metal complexes that undergo ligand-to-metal charge transfer (LMCT) to d 0
metals are of interest as possible photocatalysts due to the lack of deactivating d–d states …

Unprecedented Homoleptic Bis‐Tridentate Iridium (III) Phosphors: Facile, Scaled‐Up Production, and Superior Chemical Stability

J Lin, Y Wang, P Gnanasekaran… - Advanced Functional …, 2017 - Wiley Online Library
Bis‐tridentate Ir (III) metal complexes are expected to show great potential in organic light‐
emitting diode (OLED) applications due to the anticipated, superb chemical and …

Excited-state processes of cyclometalated platinum (II) charge-transfer dimers bridged by hydroxypyridines

A Chakraborty, JE Yarnell, RD Sommer, S Roy… - Inorganic …, 2018 - ACS Publications
A series of four anti-disposed dinuclear platinum (II) complexes featuring metal–metal-to-
ligand charge-transfer (MMLCT) excited states, bridged by either 2-hydroxy-6 …